Structure Database (LMSD)

Common Name
Dihydroformononetin
Systematic Name
7-Hydroxy-4'-methoxyisoflavanone
Synonyms
LM ID
LMPK12050448
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

String Representations

InChiKey (Click to copy)
INYISIYHXQDCPK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C=C3)C(=O)C=2C=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

HMDB ID
HMDB0033759
CHEBI ID
174556
METABOLOMICS ID
FLIB1ANS0002
PubChem CID
14730796

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 243.16
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.04
Molar Refractivity 74.16

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Updated at
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